SCHEMBL5239352

SCHEMBL5239352

Cc1cccc(C(=O)N2CC3CN(c4cccc(CCC(N)=O)c4)CC3C2)c1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.55
HCRTR2 O43614 16/20 0.55
GBA1 P04062 1/20 0.39
PLA2G10 O15496 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5231911 0.90 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL4692413 0.89 HCRTR1 (0.53) HCRTR1HCRTR2PLA2G10
SCHEMBL5232235 0.85 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL5238002 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL5236364 0.85 HCRTR1 (0.47) HCRTR1HCRTR2PLA2G10
SCHEMBL5231927 0.84 CYP2C9 (0.42) HCRTR1HCRTR2
SCHEMBL5237813 0.84 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL5233538 0.84 ALDH1A1 (0.47) HCRTR1HCRTR2PLA2G10
SCHEMBL4694593 0.83 ALDH1A1 (0.41) HCRTR1HCRTR2PLA2G10
SCHEMBL5231170 0.83 HCRTR1 (0.52) HCRTR1HCRTR2PLA2G10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed